SCHEMBL12428208

SCHEMBL12428208

CCCCCCCCc1ccc(N2CCCc3cc(/C=C/C4=C/C(=C5\C(=O)N(c6ccccc6)N=C5C(=O)O)C5CC4C5(C)C)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.35
ADRB1 P08588 5/20 0.35
ADRB3 P13945 5/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
ESR1 P03372 2/20 0.35
S1PR1 P21453 1/20 0.31
ACHE P22303 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14289372 0.90 ALDH1A1 (0.35) OPRM1OPRD1OPRK1ACHE
SCHEMBL12428211 0.84 ADRB2 (0.38) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428224 0.84 ADRB2 (0.36) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428210 0.83 ADRB2 (0.37) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428221 0.82 ADRB2 (0.35) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428223 0.82 ADRB2 (0.37) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428209 0.81 ADRB2 (0.36) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428226 0.81 ADRB2 (0.36) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428196 0.80 ADRB2 (0.40) ADRB2ADRB1ADRB3OPRM1OPRD1
SCHEMBL12428133 0.80 ALDH1A1 (0.42) ADRB2ADRB1ADRB3OPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20090084441-A1 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090084441-A1 Dye-sensitized photoelectric conversion device CRY1, H1-5, H1-0 ADRB2 1608/4885ADRB1 1522/4885ADRB3 1859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.